API and parent drug

Netarsudil

CAS 1254032-66-0 · C28H27N3O3 · 4 related records

01API identity and structure

2D structurePubChem CID 66599893
2D structure: Netarsudil, CAS 1254032-66-0
Structure of Netarsudil (CAS 1254032-66-0). LazyChem record. Source identity: PubChem CID 66599893. Confirm the identifiers before analytical use.Download structure image
API / medicine nameNetarsudil
CAS RN1254032-66-0
PubChem CID66599893
Molecular formulaC28H27N3O3
Molecular weight453.5 g/mol
IUPAC name[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate
Defined stereocentres1
Unassigned stereocentres0
SMILESCC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C
InChINot listed
InChIKeyOURRXQUGYQRVML-AREMUKBSSA-N

02Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1254032-66-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources